SCHEMBL10074521

SCHEMBL10074521

Cc1ccc(-c2cnc3c(n2)-c2nc(-c4ccc(C(F)(F)F)cc4)cnc2C3=C(C#N)C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.39
PARP1 P09874 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
KIF11 P52732 1/20 0.34
NPBWR1 P48145 1/20 0.34
GSR P00390 1/20 0.34
ATR Q13535 1/20 0.33
TOP1 P11387 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10074365 0.82 MAOB (0.41) KCNH2PARP1CTSSCTSKPOLB
SCHEMBL10074508 0.81 CTSS (0.39) KCNH2PARP1CTSSCTSKCYP11B1
SCHEMBL10074366 0.80 MAOB (0.41) KCNH2PARP1CTSSCTSKPOLB
SCHEMBL10050473 0.79 PARP1 (0.38) KCNH2PARP1CTSSCTSKIDO1
SCHEMBL10074506 0.75 ATR (0.38) CTSSCTSKPOLBATR
SCHEMBL10050444 0.73 MAOB (0.37) KCNH2PARP1CTSSCTSKPOLB
SCHEMBL2756419 0.72 AR (0.39) CTSSCTSKGAAKIF11NPBWR1
SCHEMBL12149381 0.71 KDM1A (0.43) MAPTGAAKIF11NPBWR1
SCHEMBL2756399 0.71 AR (0.38) CTSSCTSKGAAKIF11NPBWR1
SCHEMBL10050443 0.71 MAOB (0.37) KCNH2PARP1CTSSCTSKPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119828-B2 Material for an organic electroluminescence device and an organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-02-21 US disclosed
US-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE AFF4, KCNH3, HCN4 KCNH2 5/4885PARP1 2672/4885CTSS 2103/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.